Cited Article: Song, X. A comparative study on poiseuille flow of simple fluids through cylindrical and slit-like nanochannels
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Title:
Simulation of Liquid Argon Flow along a Nanochannel: Effect of Applied Force
Authors:
Yin, CY; Mohanad, EH
Author Full Names:
Yin Chun-Yang; Mohanad, El-Harbawi
Source:
CHINESE JOURNAL OF CHEMICAL ENGINEERING 17 (5): 734-738 OCT 2009
Language:
English
Document Type:
Article
Author Keywords:
molecular dynamics; large-scale atomic/molecular massively parallel simulator; visual molecular dynamics; nanofluidics; argon
KeyWords Plus:
MOLECULAR-DYNAMICS; POISEUILLE FLOW; FLUIDS
Abstract:
Liquid argon flow along a nanochannel is studied using molecular dynamics (MD) simulation in this work. Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is used as the MD simulator. The effects of reduced forces at 0.5, 1.0 and 2.0 on argon flow on system energy in the form of system potential energy, pressure and velocity profile are described. Output in the form of three-dimensional visualization of the system at steady-state condition using Visual Molecular Dynamics (VMD) is provided to describe the dynamics of the argon atoms. The equilibrium state is reached after 16000 time steps. The effects on system energy, pressure and velocity profile due to reduced force of 2.0 (F2) are clearly distinguishable from the other two lower forces where sufficiently high net force along the direction of the nanochannel for F2 renders the attractive and repulsive forces between the argon atoms virtually non-existent. A reduced force of 0.5 (F0.5) provides liquid argon !
flow that approaches Poiseuille (laminar) flow as clearly shown by the n-shaped average velocity profile. The extension of the present MD model to a more practical application affords scientists and engineers a good option for simulation of other nanofluidic dynamics processes.
Reprint Address:
Yin, CY, Univ Teknol MARA, Fac Chem Engn, Shah Alam 40450, Selangor, Malaysia.
Research Institution addresses:
[Yin Chun-Yang] Univ Teknol MARA, Fac Chem Engn, Shah Alam 40450, Selangor, Malaysia; [Mohanad, El-Harbawi] Univ Teknol PETRONAS, Dept Chem Engn, Tronoh 31750, Perak, Malaysia
E-mail Address:
yinyang@salam.uitm.edu.my
Cited References:
BEU TA, 2002, MOL DYNAMICS SIMULAT.
FRIED J, 2007, THESIS VIRGINIA POLY.
HUMPHREY W, 1996, J MOL GRAPHICS, V14, P33.
JEGAN P, 2007, THESIS CRANFIELD U U.
LENNARDJONES JE, 1931, P PHYS SOC LOND 1, V43, P461.
MEYER M, 1988, J CHEM PHYS, V89, P1067.
PLIMPTON S, 1995, J COMPUT PHYS, V117, P1.
PLIMPTON SJ, 2003, LAMMPS USER MANUAL.
SONG X, 2008, INT J HEAT MASS TRAN, V51, P1770, DOI 10.1016/j.ijheatmasstransfer.2007.07.019.
TRAVIS KP, 2000, J CHEM PHYS, V112, P1984.
XU JL, 2004, HEAT MASS TRANSFER, V40, P859, DOI 10.1007/s00231-003-0483-3.
ZHANG H, 2002, CHEM PHYS LETT, V366, P24.
ZIARANI AS, 2006, MICROFLUID NANOFLUID, V2, P12, DOI 10.1007/s10404-005-0036-9.
Cited Reference Count:
13
Times Cited:
0
Publisher:
CHEMICAL INDUSTRY PRESS; NO. 3 HUIXINLI CHAOYANGQU, BEIJING 100029, PEOPLES R CHINA
Subject Category:
Engineering, Chemical
ISSN:
1004-9541
IDS Number:
516RC
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